# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'CJC'
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_occupancy
    O0      O    -6.71700  -0.93800   2.35400   1.000
    C1      C    -6.10000  -0.52800   1.38700   1.000
    C2      C    -6.61400  -0.74400   0.03100   1.000
    N3      N    -4.93600   0.13800   1.55000   1.000
    C4      C    -4.26300   0.58900   0.43300   1.000
    C5      C    -4.78800   0.35600  -0.85300   1.000
    N6      N    -5.95200  -0.30400  -1.00100   1.000
    N7      N    -4.13300   0.79500  -1.93100   1.000
    C8      C    -3.00000   1.44600  -1.83400   1.000
    C9      C    -2.42100   1.71300  -0.58800   1.000
    C10     C    -3.06100   1.27900   0.56600   1.000
    S11     S    -0.89600   2.59000  -0.48500   1.000
    C12     C    0.23000   1.23700  -0.40300   1.000
    N13     N    1.51900   1.49000  -0.20800   1.000
    C14     C    2.40600   0.50400  -0.13900   1.000
    N15     N    3.74800   0.77200   0.06500   1.000
    C16     C    4.25000   1.75800  -0.92500   1.000
    C17     C    5.52900   2.31700  -0.25200   1.000
    C18     C    5.13300   2.38200   1.24100   1.000
    N19     N    4.69100   3.73800   1.59300   1.000
    C20     C    3.97000   1.38400   1.39200   1.000
    C21     C    1.95100  -0.81700  -0.27800   1.000
    C22     C    0.57700  -1.04200  -0.48300   1.000
    N23     N    -0.24100   0.00800  -0.53400   1.000
    N24     N    0.39900  -2.39400  -0.58500   1.000
    C25     C    1.60600  -3.03700  -0.45100   1.000
    C26     C    2.58300  -2.13600  -0.26300   1.000
    Cl27    Cl   4.27300  -2.47100  -0.04500   1.000
    C28     C    1.80300  -4.53100  -0.50700   1.000
    C29     C    1.79400  -5.10000   0.91300   1.000
    H30     H    -7.54600  -1.27100  -0.11200   1.000
    H31     H    -4.57800   0.29700   2.43800   1.000
    H32     H    -2.50300   1.78300  -2.73100   1.000
    H33     H    -2.63700   1.47100   1.54000   1.000
    H34     H    4.49400   1.26800  -1.86800   1.000
    H35     H    3.51800   2.55100  -1.08400   1.000
    H36     H    6.37000   1.63900  -0.40000   1.000
    H37     H    5.76200   3.31100  -0.63300   1.000
    H38     H    5.97300   2.08200   1.86800   1.000
    H39     H    5.43300   4.40700   1.45300   1.000
    H40     H    3.86700   3.99600   1.07100   1.000
    H41     H    3.07100   1.90900   1.71500   1.000
    H42     H    4.23400   0.61400   2.11700   1.000
    H43     H    -0.45300  -2.83400  -0.72900   1.000
    H44     H    0.99700  -4.98200  -1.08500   1.000
    H45     H    2.75900  -4.75300  -0.98200   1.000
    H46     H    2.60000  -4.64800   1.49100   1.000
    H47     H    0.83800  -4.87700   1.38700   1.000
    H48     H    1.93600  -6.17900   0.87300   1.000